N-butyl-2-chloranyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-N-(phenylmethyl)pyrimido[5,4-d]pyrimidin-8-amine

Systemtic Name: N-butyl-2-chloranyl-4-(1-oxidanylidene-1,4-thiazinan-4-yl)-N-(phenylmethyl)pyrimido[5,4-d]pyrimidin-8-amine Openeye Name: N-benzyl-N-butyl-2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine CAS Name: N-butyl-2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)-N-(phenylmethyl)-8-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-benzyl-N-butyl-2-chloro-4-(1-oxo-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-amine Traditional Name: benzyl-butyl-[2-chloro-4-(1-keto-1,4-thiazinan-4-yl)pyrimido[5,4-d]pyrimidin-8-yl]amine Formula: C21H25ClN6OS MolecularWeight: 444.9808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C2=NC=NC3=C2N=C(N=C3N4CCS(=O)CC4)Cl

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C2=NC=NC3=C2N=C(N=C3N4CCS(=O)CC4)Cl

InChI

InChI=1S/C21H25ClN6OS/c1-2-3-9-28(14-16-7-5-4-6-8-16)19-18-17(23-15-24-19)20(26-21(22)25-18)27-10-12-30(29)13-11-27/h4-8,15H,2-3,9-14H2,1H3