N7-butyl-6-nitro-N4-(phenylmethyl)quinazoline-4,7-diamine

Systemtic Name: N7-butyl-6-nitro-N4-(phenylmethyl)quinazoline-4,7-diamine Openeye Name: N4-benzyl-N7-butyl-6-nitro-quinazoline-4,7-diamine CAS Name: N7-butyl-6-nitro-N4-(phenylmethyl)quinazoline-4,7-diamine IUPAC Name: 4-N-benzyl-7-N-butyl-6-nitroquinazoline-4,7-diamine Traditional Name: benzyl-[7-(butylamino)-6-nitro-quinazolin-4-yl]amine Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O2/c1-2-3-9-20-17-11-16-15(10-18(17)24(25)26)19(23-13-22-16)21-12-14-7-5-4-6-8-14/h4-8,10-11,13,20H,2-3,9,12H2,1H3,(H,21,22,23)