2-[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]-N-cyclopropyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-[4-[2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]-N-cyclopropyl-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[4-(2,6-dichlorophenyl)sulfonyl-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-[4-(2,6-dichlorophenyl)sulfonylpiperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H18Cl2N6O4S MolecularWeight: 473.33362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C17H18Cl2N6O4S/c18-12-2-1-3-13(19)15(12)30(28,29)24-8-6-23(7-9-24)17-20-10-14(25(26)27)16(22-17)21-11-4-5-11/h1-3,10-11H,4-9H2,(H,20,21,22)