8-[2,3-bis(oxidanyl)propyl]-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-methoxy-quinazoline-6-carbonitrile

Systemtic Name: 8-[2,3-bis(oxidanyl)propyl]-4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-7-methoxy-quinazoline-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(2,3-dihydroxypropyl)-7-methoxy-quinazoline-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2,3-dihydroxypropyl)-7-methoxy-6-quinazolinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(2,3-dihydroxypropyl)-7-methoxyquinazoline-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-glyceryl-7-methoxy-quinazoline-6-carbonitrile Formula: C21H21ClN4O4 MolecularWeight: 428.86884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=C(C(=C3CC(CO)O)OC)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=C(C(=C3CC(CO)O)OC)C#N)Cl

InChI

InChI=1S/C21H21ClN4O4/c1-29-18-4-3-12(5-17(18)22)9-24-21-16-6-13(8-23)20(30-2)15(7-14(28)10-27)19(16)25-11-26-21/h3-6,11,14,27-28H,7,9-10H2,1-2H3,(H,24,25,26)