化学式

CAS号

IUPAC Name

4-N,6-N-双[3-[5-[[氨基-(chloroamino)亚甲基]氨基]戊酰氨基]-2-[(3R)-1-chloropyrrolidin-3-基]氧基-5-(三氟甲基)苯基]嘧啶-4,6-二甲酰胺 4-N,6-N-bis[3-[5-[[amino-(chloroamino)methylidene]amino]pentanoylamino]-2-[(3R)-1-chloropyrrolidin-3-yl]oxy-5-(trifluoromethyl)phenyl]pyrimidine-4,6-dicarboxamide

InChI

InChI=1S/C40H46Cl4F6N14O6/c41-61-37(51)53-9-3-1-5-31(65)57-25-13-21(39(45,46)47)15-27(33(25)69-23-7-11-63(43)18-23)59-35(67)29-17-30(56-20-55-29)36(68)60-28-16-22(40(48,49)50)14-26(34(28)70-24-8-12-64(44)19-24)58-32(66)6-2-4-10-54-38(52)62-42/h13-17,20,23-24H,1-12,18-19H2,(H,57,65)(H,58,66)(H,59,67)(H,60,68)(H3,51,53,61)(H3,52,54,62)/t23-,24-/m1/s1

InChI Key

OECBRTJRWYNKKS-DNQXCXABSA-N

Canonical SMILES

C1CN(CC1OC2=C(C=C(C=C2NC(=O)C3=CC(=NC=N3)C(=O)NC4=CC(=CC(=C4OC5CCN(C5)Cl)NC(=O)CCCCN=C(N)NCl)C(F)(F)F)C(F)(F)F)NC(=O)CCCCN=C(N)NCl)Cl

别名

• SCHEMBL18033863