N4-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-methoxy-8-prop-2-enyl-quinazoline-4,6-diamine

Systemtic Name: N4-[(3-chloranyl-4-methoxy-phenyl)methyl]-7-methoxy-8-prop-2-enyl-quinazoline-4,6-diamine Openeye Name: 8-allyl-N4-[(3-chloro-4-methoxy-phenyl)methyl]-7-methoxy-quinazoline-4,6-diamine CAS Name: N4-[(3-chloro-4-methoxyphenyl)methyl]-7-methoxy-8-prop-2-enylquinazoline-4,6-diamine IUPAC Name: 4-N-[(3-chloro-4-methoxyphenyl)methyl]-7-methoxy-8-prop-2-enylquinazoline-4,6-diamine Traditional Name: (8-allyl-6-amino-7-methoxy-quinazolin-4-yl)-(3-chloro-4-methoxy-benzyl)amine Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC=NC3=C(C(=C(C=C32)N)OC)CC=C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC=NC3=C(C(=C(C=C32)N)OC)CC=C)Cl

InChI

InChI=1S/C20H21ClN4O2/c1-4-5-13-18-14(9-16(22)19(13)27-3)20(25-11-24-18)23-10-12-6-7-17(26-2)15(21)8-12/h4,6-9,11H,1,5,10,22H2,2-3H3,(H,23,24,25)