5-methyl-2-(4-nitrophenyl)-4-piperazin-1-yl-thieno[2,3-d]pyrimidine-6-carbonitrile

Systemtic Name: 5-methyl-2-(4-nitrophenyl)-4-piperazin-1-yl-thieno[2,3-d]pyrimidine-6-carbonitrile Openeye Name: 5-methyl-2-(4-nitrophenyl)-4-piperazin-1-yl-thieno[2,3-d]pyrimidine-6-carbonitrile CAS Name: 5-methyl-2-(4-nitrophenyl)-4-(1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarbonitrile IUPAC Name: 5-methyl-2-(4-nitrophenyl)-4-piperazin-1-ylthieno[2,3-d]pyrimidine-6-carbonitrile Traditional Name: 5-methyl-2-(4-nitrophenyl)-4-piperazino-thieno[2,3-d]pyrimidine-6-carbonitrile Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCNCC3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCNCC3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H16N6O2S/c1-11-14(10-19)27-18-15(11)17(23-8-6-20-7-9-23)21-16(22-18)12-2-4-13(5-3-12)24(25)26/h2-5,20H,6-9H2,1H3