N-(phenylmethyl)-2-piperazin-1-yl-4-thiomorpholin-4-yl-pyrimido[5,4-d]pyrimidin-8-amine

Systemtic Name: N-(phenylmethyl)-2-piperazin-1-yl-4-thiomorpholin-4-yl-pyrimido[5,4-d]pyrimidin-8-amine Openeye Name: N-benzyl-2-piperazin-1-yl-4-thiomorpholino-pyrimido[5,4-d]pyrimidin-8-amine CAS Name: N-(phenylmethyl)-2-(1-piperazinyl)-4-thiomorpholin-4-yl-8-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-benzyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine Traditional Name: benzyl-(2-piperazino-4-thiomorpholino-pyrimido[5,4-d]pyrimidin-8-yl)amine Formula: C21H26N8S MolecularWeight: 422.54974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=CN=C3NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=CN=C3NCC5=CC=CC=C5

InChI

InChI=1S/C21H26N8S/c1-2-4-16(5-3-1)14-23-19-17-18(24-15-25-19)20(28-10-12-30-13-11-28)27-21(26-17)29-8-6-22-7-9-29/h1-5,15,22H,6-14H2,(H,23,24,25)