6-chloranyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-N-(phenylmethyl)-1-piperazin-1-yl-5H-pteridin-7-amine

Systemtic Name: 6-chloranyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-N-(phenylmethyl)-1-piperazin-1-yl-5H-pteridin-7-amine Openeye Name: N-benzyl-6-chloro-4-(1-oxo-1,4-thiazinan-4-yl)-1-piperazin-1-yl-5H-pteridin-7-amine CAS Name: 6-chloro-4-(1-oxo-1,4-thiazinan-4-yl)-N-(phenylmethyl)-1-(1-piperazinyl)-5H-pteridin-7-amine IUPAC Name: N-benzyl-6-chloro-4-(1-oxo-1,4-thiazinan-4-yl)-1-piperazin-1-yl-5H-pteridin-7-amine Traditional Name: benzyl-[6-chloro-4-(1-keto-1,4-thiazinan-4-yl)-1-piperazino-5H-pteridin-7-yl]amine Formula: C21H27ClN8OS MolecularWeight: 475.01008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)N2C=NC(=C3C2=NC(=C(N3)Cl)NCC4=CC=CC=C4)N5CCS(=O)CC5

Isomeric SMILES

C1CN(CCN1)N2C=NC(=C3C2=NC(=C(N3)Cl)NCC4=CC=CC=C4)N5CCS(=O)CC5

InChI

InChI=1S/C21H27ClN8OS/c22-18-19(24-14-16-4-2-1-3-5-16)27-21-17(26-18)20(28-10-12-32(31)13-11-28)25-15-30(21)29-8-6-23-7-9-29/h1-5,15,23-24,26H,6-14H2