2-[3-[1,2-bis(azanyl)-4-methyl-6-oxidanylidene-pyrimidin-5-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[1,2-bis(azanyl)-4-methyl-6-oxidanylidene-pyrimidin-5-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-(1,2-diamino-4-methyl-6-oxo-pyrimidin-5-yl)propyl]isoindoline-1,3-dione CAS Name: 2-[3-(1,2-diamino-4-methyl-6-oxo-5-pyrimidinyl)propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(1,2-diamino-4-methyl-6-oxopyrimidin-5-yl)propyl]isoindole-1,3-dione Traditional Name: 2-[3-(1,2-diamino-6-keto-4-methyl-pyrimidin-5-yl)propyl]isoindoline-1,3-quinone Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=N1)N)N)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C(=O)N(C(=N1)N)N)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H17N5O3/c1-9-10(15(24)21(18)16(17)19-9)7-4-8-20-13(22)11-5-2-3-6-12(11)14(20)23/h2-3,5-6H,4,7-8,18H2,1H3,(H2,17,19)