2-azanyl-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 2-azanyl-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 2-amino-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrrolo[3,2-d]pyrimidin-4-one CAS Name: 2-amino-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 2-amino-6-methyl-5-[(4-nitrophenyl)methyl]-1H-pyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 2-amino-6-methyl-5-(4-nitrobenzyl)-1H-pyrrolo[3,2-d]pyrimidin-4-one Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N=C(N2)N

Isomeric SMILES

CC1=CC2=C(N1CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N=C(N2)N

InChI

InChI=1S/C14H13N5O3/c1-8-6-11-12(13(20)17-14(15)16-11)18(8)7-9-2-4-10(5-3-9)19(21)22/h2-6H,7H2,1H3,(H3,15,16,17,20)