5-nitro-N4-[(E)-[1-(phenylmethyl)indol-3-yl]methylideneamino]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-[(E)-[1-(phenylmethyl)indol-3-yl]methylideneamino]pyrimidine-4,6-diamine Openeye Name: N4-[(E)-(1-benzylindol-3-yl)methyleneamino]-5-nitro-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-[(E)-[1-(phenylmethyl)-3-indolyl]methylideneamino]pyrimidine-4,6-diamine IUPAC Name: 4-N-[(E)-(1-benzylindol-3-yl)methylideneamino]-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-[(E)-(1-benzylindol-3-yl)methyleneamino]amine Formula: C20H17N7O2 MolecularWeight: 387.39468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNC4=NC=NC(=C4[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=N/NC4=NC=NC(=C4[N+](=O)[O-])N

InChI

InChI=1S/C20H17N7O2/c21-19-18(27(28)29)20(23-13-22-19)25-24-10-15-12-26(11-14-6-2-1-3-7-14)17-9-5-4-8-16(15)17/h1-10,12-13H,11H2,(H3,21,22,23,25)/b24-10+